USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 ASN :FLIP amide:sc= 0.472 F(o=0.46,f=1) USER MOD Set 1.2: A 82 SER OG : rot 101:sc= 0.536 USER MOD Single : A 30 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.72) USER MOD Single : A 34 TYR OH : rot -122:sc= 1.54 USER MOD Single : A 35 HIS : no HE2:sc= 0.402 K(o=0.4,f=-4.1!) USER MOD Single : A 38 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.5) USER MOD Single : A 43 GLN : amide:sc= -0.242 K(o=-0.24,f=-1.9) USER MOD Single : A 47 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.3) USER MOD Single : A 48 MET CE :methyl 169:sc= 0 (180deg=-0.128) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.156 (180deg=-0.164) USER MOD Single : A 54 ASN : amide:sc= 1.03 K(o=1,f=-0.46) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -0.0204 (180deg=-0.215) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.678 K(o=0.68,f=-0.0083) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 SER OG : rot -167:sc= 0.381 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 37:sc= 0.75 USER MOD Single : A 77 TYR OH : rot 26:sc= 0.443 USER MOD Single : A 84 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.65) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 90 MET CE :methyl -161:sc= -0.0258 (180deg=-1.03) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 94 GLN : amide:sc= -0.814 K(o=-0.81,f=-2.5!) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0556) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0651) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ -171:sc= 0.856 (180deg=0.813) USER MOD ----------------------------------------------------------------- ATOM 344 N GLU A 24 12.438 10.494 -29.218 1.00 0.00 N ATOM 345 CA GLU A 24 11.126 10.369 -29.837 1.00 0.00 C ATOM 346 C GLU A 24 10.851 11.523 -30.794 1.00 0.00 C ATOM 347 O GLU A 24 11.411 12.611 -30.652 1.00 0.00 O ATOM 348 CB GLU A 24 10.028 10.311 -28.775 1.00 0.00 C ATOM 349 CG GLU A 24 10.178 9.081 -27.884 1.00 0.00 C ATOM 350 CD GLU A 24 8.896 8.756 -27.123 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.871 7.687 -26.474 1.00 0.00 O ATOM 352 OE2 GLU A 24 7.944 9.567 -27.184 1.00 0.00 O ATOM 0 HA GLU A 24 11.123 9.439 -30.405 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.064 11.212 -28.163 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.052 10.294 -29.260 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.461 8.225 -28.496 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.987 9.247 -27.173 1.00 0.00 H new ATOM 359 N GLY A 25 9.976 11.272 -31.769 1.00 0.00 N ATOM 360 CA GLY A 25 9.537 12.278 -32.726 1.00 0.00 C ATOM 361 C GLY A 25 8.299 13.018 -32.219 1.00 0.00 C ATOM 362 O GLY A 25 8.072 13.092 -31.011 1.00 0.00 O ATOM 0 H GLY A 25 9.551 10.356 -31.914 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.342 12.990 -32.904 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.314 11.803 -33.681 1.00 0.00 H new ATOM 366 N PRO A 26 7.487 13.568 -33.135 1.00 0.00 N ATOM 367 CA PRO A 26 6.259 14.275 -32.811 1.00 0.00 C ATOM 368 C PRO A 26 5.198 13.300 -32.301 1.00 0.00 C ATOM 369 O PRO A 26 5.419 12.089 -32.257 1.00 0.00 O ATOM 370 CB PRO A 26 5.830 14.932 -34.126 1.00 0.00 C ATOM 371 CG PRO A 26 6.370 13.971 -35.185 1.00 0.00 C ATOM 372 CD PRO A 26 7.696 13.531 -34.572 1.00 0.00 C ATOM 0 HA PRO A 26 6.396 15.011 -32.019 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.747 15.036 -34.190 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.253 15.931 -34.235 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.698 13.129 -35.351 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.509 14.462 -36.148 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.969 12.529 -34.904 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.506 14.197 -34.869 1.00 0.00 H new ATOM 380 N GLU A 27 4.033 13.824 -31.913 1.00 0.00 N ATOM 381 CA GLU A 27 2.951 12.992 -31.411 1.00 0.00 C ATOM 382 C GLU A 27 2.500 11.994 -32.477 1.00 0.00 C ATOM 383 O GLU A 27 2.366 12.341 -33.650 1.00 0.00 O ATOM 384 CB GLU A 27 1.796 13.887 -30.953 1.00 0.00 C ATOM 385 CG GLU A 27 0.615 13.052 -30.452 1.00 0.00 C ATOM 386 CD GLU A 27 -0.546 13.926 -29.971 1.00 0.00 C ATOM 387 OE1 GLU A 27 -1.588 13.340 -29.606 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.391 15.167 -29.968 1.00 0.00 O ATOM 0 H GLU A 27 3.820 14.821 -31.939 1.00 0.00 H new ATOM 0 HA GLU A 27 3.302 12.413 -30.557 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.139 14.550 -30.159 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.473 14.520 -31.779 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.268 12.398 -31.252 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.946 12.409 -29.636 1.00 0.00 H new ATOM 395 N GLY A 28 2.264 10.750 -32.055 1.00 0.00 N ATOM 396 CA GLY A 28 1.789 9.686 -32.927 1.00 0.00 C ATOM 397 C GLY A 28 2.921 9.027 -33.720 1.00 0.00 C ATOM 398 O GLY A 28 2.674 8.087 -34.476 1.00 0.00 O ATOM 0 H GLY A 28 2.400 10.455 -31.088 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.281 8.930 -32.328 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.052 10.091 -33.621 1.00 0.00 H new ATOM 402 N ALA A 29 4.158 9.510 -33.557 1.00 0.00 N ATOM 403 CA ALA A 29 5.317 8.996 -34.269 1.00 0.00 C ATOM 404 C ALA A 29 6.085 7.967 -33.430 1.00 0.00 C ATOM 405 O ALA A 29 7.311 7.921 -33.478 1.00 0.00 O ATOM 406 CB ALA A 29 6.209 10.161 -34.699 1.00 0.00 C ATOM 0 H ALA A 29 4.377 10.276 -32.920 1.00 0.00 H new ATOM 0 HA ALA A 29 4.978 8.471 -35.162 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.078 9.776 -35.233 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.647 10.827 -35.353 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.539 10.711 -33.818 1.00 0.00 H new ATOM 412 N ASN A 30 5.375 7.143 -32.657 1.00 0.00 N ATOM 413 CA ASN A 30 6.007 6.168 -31.782 1.00 0.00 C ATOM 414 C ASN A 30 5.195 4.882 -31.708 1.00 0.00 C ATOM 415 O ASN A 30 3.968 4.932 -31.668 1.00 0.00 O ATOM 416 CB ASN A 30 6.266 6.781 -30.399 1.00 0.00 C ATOM 417 CG ASN A 30 5.269 7.877 -30.043 1.00 0.00 C ATOM 418 OD1 ASN A 30 4.063 7.727 -30.228 1.00 0.00 O ATOM 419 ND2 ASN A 30 5.772 8.994 -29.527 1.00 0.00 N ATOM 0 H ASN A 30 4.356 7.136 -32.623 1.00 0.00 H new ATOM 0 HA ASN A 30 6.974 5.895 -32.204 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.221 5.996 -29.644 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.275 7.191 -30.372 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.151 9.762 -29.270 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.778 9.083 -29.388 1.00 0.00 H new ATOM 426 N LEU A 31 5.878 3.733 -31.692 1.00 0.00 N ATOM 427 CA LEU A 31 5.220 2.441 -31.798 1.00 0.00 C ATOM 428 C LEU A 31 5.621 1.468 -30.697 1.00 0.00 C ATOM 429 O LEU A 31 6.717 1.535 -30.144 1.00 0.00 O ATOM 430 CB LEU A 31 5.554 1.784 -33.140 1.00 0.00 C ATOM 431 CG LEU A 31 5.211 2.637 -34.362 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.538 1.827 -35.613 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.725 2.982 -34.397 1.00 0.00 C ATOM 0 H LEU A 31 6.893 3.679 -31.606 1.00 0.00 H new ATOM 0 HA LEU A 31 4.153 2.646 -31.706 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.619 1.551 -33.162 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.019 0.837 -33.211 1.00 0.00 H new ATOM 0 HG LEU A 31 5.785 3.562 -34.315 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.301 2.415 -36.500 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.599 1.576 -35.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.948 0.911 -35.618 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.513 3.589 -35.277 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.139 2.064 -34.440 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.460 3.540 -33.499 1.00 0.00 H new ATOM 445 N PHE A 32 4.696 0.556 -30.406 1.00 0.00 N ATOM 446 CA PHE A 32 4.893 -0.600 -29.558 1.00 0.00 C ATOM 447 C PHE A 32 4.925 -1.920 -30.312 1.00 0.00 C ATOM 448 O PHE A 32 4.152 -2.094 -31.248 1.00 0.00 O ATOM 449 CB PHE A 32 3.909 -0.630 -28.396 1.00 0.00 C ATOM 450 CG PHE A 32 4.332 0.212 -27.220 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.891 -0.415 -26.101 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.164 1.599 -27.244 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.280 0.344 -24.993 1.00 0.00 C ATOM 454 CE2 PHE A 32 4.570 2.365 -26.142 1.00 0.00 C ATOM 455 CZ PHE A 32 5.131 1.737 -25.020 1.00 0.00 C ATOM 0 H PHE A 32 3.747 0.613 -30.776 1.00 0.00 H new ATOM 0 HA PHE A 32 5.893 -0.483 -29.139 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.936 -0.285 -28.747 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.782 -1.661 -28.066 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.022 -1.487 -26.093 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.724 2.078 -28.106 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.693 -0.141 -24.121 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.451 3.438 -26.157 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.449 2.329 -24.175 1.00 0.00 H new ATOM 465 N ILE A 33 5.804 -2.841 -29.914 1.00 0.00 N ATOM 466 CA ILE A 33 5.918 -4.130 -30.577 1.00 0.00 C ATOM 467 C ILE A 33 6.031 -5.206 -29.504 1.00 0.00 C ATOM 468 O ILE A 33 6.926 -5.136 -28.670 1.00 0.00 O ATOM 469 CB ILE A 33 7.144 -4.150 -31.504 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.216 -2.956 -32.471 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.132 -5.450 -32.308 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.876 -1.722 -31.853 1.00 0.00 C ATOM 0 H ILE A 33 6.447 -2.712 -29.133 1.00 0.00 H new ATOM 0 HA ILE A 33 5.039 -4.315 -31.194 1.00 0.00 H new ATOM 0 HB ILE A 33 8.024 -4.079 -30.864 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.772 -3.250 -33.361 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.208 -2.697 -32.795 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.997 -5.476 -32.970 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.171 -6.300 -31.626 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.219 -5.502 -32.902 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.896 -0.915 -32.585 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.307 -1.405 -30.979 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.895 -1.966 -31.554 1.00 0.00 H new ATOM 484 N TYR A 34 5.134 -6.193 -29.522 1.00 0.00 N ATOM 485 CA TYR A 34 5.097 -7.231 -28.502 1.00 0.00 C ATOM 486 C TYR A 34 5.140 -8.590 -29.206 1.00 0.00 C ATOM 487 O TYR A 34 5.154 -8.670 -30.433 1.00 0.00 O ATOM 488 CB TYR A 34 3.779 -7.108 -27.728 1.00 0.00 C ATOM 489 CG TYR A 34 3.386 -5.708 -27.305 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.412 -5.008 -28.032 1.00 0.00 C ATOM 491 CD2 TYR A 34 3.970 -5.118 -26.176 1.00 0.00 C ATOM 492 CE1 TYR A 34 1.995 -3.737 -27.613 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.576 -3.836 -25.763 1.00 0.00 C ATOM 494 CZ TYR A 34 2.575 -3.147 -26.474 1.00 0.00 C ATOM 495 OH TYR A 34 2.175 -1.916 -26.056 1.00 0.00 O ATOM 0 H TYR A 34 4.418 -6.292 -30.242 1.00 0.00 H new ATOM 0 HA TYR A 34 5.939 -7.132 -27.817 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.979 -7.518 -28.344 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.845 -7.731 -26.836 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.981 -5.450 -28.918 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.727 -5.652 -25.621 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.229 -3.211 -28.164 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.040 -3.379 -24.901 1.00 0.00 H new ATOM 0 HH TYR A 34 2.946 -1.311 -26.035 1.00 0.00 H new ATOM 505 N HIS A 35 5.154 -9.654 -28.396 1.00 0.00 N ATOM 506 CA HIS A 35 5.198 -11.051 -28.817 1.00 0.00 C ATOM 507 C HIS A 35 6.508 -11.427 -29.514 1.00 0.00 C ATOM 508 O HIS A 35 6.577 -12.469 -30.164 1.00 0.00 O ATOM 509 CB HIS A 35 3.975 -11.416 -29.666 1.00 0.00 C ATOM 510 CG HIS A 35 2.628 -11.044 -29.092 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.413 -11.257 -29.718 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.371 -10.444 -27.890 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.437 -10.805 -28.914 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.001 -10.297 -27.800 1.00 0.00 N ATOM 0 H HIS A 35 5.134 -9.555 -27.381 1.00 0.00 H new ATOM 0 HA HIS A 35 5.163 -11.649 -27.906 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.077 -10.935 -30.639 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.988 -12.492 -29.840 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.281 -11.685 -30.635 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.100 -10.143 -27.152 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.622 -10.842 -29.124 1.00 0.00 H new ATOM 523 N LEU A 36 7.547 -10.594 -29.389 1.00 0.00 N ATOM 524 CA LEU A 36 8.842 -10.859 -29.998 1.00 0.00 C ATOM 525 C LEU A 36 9.525 -12.036 -29.296 1.00 0.00 C ATOM 526 O LEU A 36 9.497 -12.112 -28.068 1.00 0.00 O ATOM 527 CB LEU A 36 9.725 -9.613 -29.887 1.00 0.00 C ATOM 528 CG LEU A 36 9.146 -8.419 -30.645 1.00 0.00 C ATOM 529 CD1 LEU A 36 9.976 -7.177 -30.322 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.200 -8.657 -32.153 1.00 0.00 C ATOM 0 H LEU A 36 7.508 -9.721 -28.863 1.00 0.00 H new ATOM 0 HA LEU A 36 8.695 -11.110 -31.048 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.846 -9.349 -28.836 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.718 -9.839 -30.275 1.00 0.00 H new ATOM 0 HG LEU A 36 8.108 -8.284 -30.342 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.571 -6.319 -30.858 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.941 -6.984 -29.250 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.010 -7.341 -30.627 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.783 -7.794 -32.673 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.235 -8.801 -32.462 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.620 -9.546 -32.402 1.00 0.00 H new ATOM 542 N PRO A 37 10.140 -12.957 -30.054 1.00 0.00 N ATOM 543 CA PRO A 37 10.898 -14.073 -29.505 1.00 0.00 C ATOM 544 C PRO A 37 12.238 -13.604 -28.926 1.00 0.00 C ATOM 545 O PRO A 37 12.620 -12.442 -29.064 1.00 0.00 O ATOM 546 CB PRO A 37 11.086 -15.034 -30.677 1.00 0.00 C ATOM 547 CG PRO A 37 11.121 -14.099 -31.882 1.00 0.00 C ATOM 548 CD PRO A 37 10.143 -12.990 -31.505 1.00 0.00 C ATOM 0 HA PRO A 37 10.381 -14.553 -28.674 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.008 -15.609 -30.585 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.269 -15.752 -30.746 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.123 -13.707 -32.056 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.815 -14.610 -32.795 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.457 -12.032 -31.919 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.146 -13.195 -31.896 1.00 0.00 H new ATOM 556 N GLN A 38 12.951 -14.527 -28.272 1.00 0.00 N ATOM 557 CA GLN A 38 14.199 -14.257 -27.567 1.00 0.00 C ATOM 558 C GLN A 38 15.332 -13.831 -28.507 1.00 0.00 C ATOM 559 O GLN A 38 16.297 -13.215 -28.063 1.00 0.00 O ATOM 560 CB GLN A 38 14.571 -15.526 -26.786 1.00 0.00 C ATOM 561 CG GLN A 38 16.007 -15.558 -26.254 1.00 0.00 C ATOM 562 CD GLN A 38 16.306 -14.447 -25.254 1.00 0.00 C ATOM 563 OE1 GLN A 38 15.411 -13.745 -24.785 1.00 0.00 O ATOM 564 NE2 GLN A 38 17.581 -14.278 -24.917 1.00 0.00 N ATOM 0 H GLN A 38 12.665 -15.505 -28.220 1.00 0.00 H new ATOM 0 HA GLN A 38 14.054 -13.414 -26.891 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.885 -15.632 -25.945 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.419 -16.390 -27.432 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.190 -16.522 -25.780 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.699 -15.478 -27.092 1.00 0.00 H new ATOM 0 HE21 GLN A 38 18.300 -14.877 -25.324 1.00 0.00 H new ATOM 0 HE22 GLN A 38 17.840 -13.550 -24.252 1.00 0.00 H new ATOM 573 N GLU A 39 15.226 -14.151 -29.800 1.00 0.00 N ATOM 574 CA GLU A 39 16.277 -13.834 -30.762 1.00 0.00 C ATOM 575 C GLU A 39 16.317 -12.344 -31.120 1.00 0.00 C ATOM 576 O GLU A 39 17.230 -11.910 -31.822 1.00 0.00 O ATOM 577 CB GLU A 39 16.113 -14.704 -32.010 1.00 0.00 C ATOM 578 CG GLU A 39 14.730 -14.529 -32.642 1.00 0.00 C ATOM 579 CD GLU A 39 14.560 -15.372 -33.909 1.00 0.00 C ATOM 580 OE1 GLU A 39 15.550 -16.012 -34.329 1.00 0.00 O ATOM 581 OE2 GLU A 39 13.433 -15.368 -34.451 1.00 0.00 O ATOM 0 H GLU A 39 14.420 -14.630 -30.202 1.00 0.00 H new ATOM 0 HA GLU A 39 17.236 -14.057 -30.295 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.882 -14.445 -32.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.263 -15.751 -31.747 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.964 -14.807 -31.918 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.574 -13.478 -32.884 1.00 0.00 H new ATOM 588 N PHE A 40 15.344 -11.557 -30.653 1.00 0.00 N ATOM 589 CA PHE A 40 15.337 -10.114 -30.860 1.00 0.00 C ATOM 590 C PHE A 40 16.251 -9.304 -29.950 1.00 0.00 C ATOM 591 O PHE A 40 16.634 -9.755 -28.868 1.00 0.00 O ATOM 592 CB PHE A 40 13.922 -9.540 -30.937 1.00 0.00 C ATOM 593 CG PHE A 40 13.241 -9.740 -32.274 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.917 -11.031 -32.711 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.933 -8.636 -33.083 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.287 -11.221 -33.949 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.294 -8.823 -34.318 1.00 0.00 C ATOM 598 CZ PHE A 40 11.974 -10.118 -34.752 1.00 0.00 C ATOM 0 H PHE A 40 14.544 -11.904 -30.124 1.00 0.00 H new ATOM 0 HA PHE A 40 15.794 -9.996 -31.843 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.313 -10.001 -30.159 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.963 -8.473 -30.719 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.154 -11.884 -32.092 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.188 -7.639 -32.754 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.043 -12.219 -34.283 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.049 -7.971 -34.934 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.487 -10.264 -35.705 1.00 0.00 H new ATOM 608 N GLY A 41 16.600 -8.100 -30.400 1.00 0.00 N ATOM 609 CA GLY A 41 17.430 -7.177 -29.648 1.00 0.00 C ATOM 610 C GLY A 41 17.239 -5.758 -30.182 1.00 0.00 C ATOM 611 O GLY A 41 16.541 -5.556 -31.175 1.00 0.00 O ATOM 0 H GLY A 41 16.308 -7.739 -31.308 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.168 -7.216 -28.591 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.478 -7.468 -29.728 1.00 0.00 H new ATOM 615 N ASP A 42 17.856 -4.774 -29.529 1.00 0.00 N ATOM 616 CA ASP A 42 17.699 -3.375 -29.910 1.00 0.00 C ATOM 617 C ASP A 42 18.141 -3.062 -31.336 1.00 0.00 C ATOM 618 O ASP A 42 17.501 -2.276 -32.034 1.00 0.00 O ATOM 619 CB ASP A 42 18.392 -2.453 -28.902 1.00 0.00 C ATOM 620 CG ASP A 42 19.807 -2.884 -28.508 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.336 -2.273 -27.553 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.358 -3.809 -29.148 1.00 0.00 O ATOM 0 H ASP A 42 18.472 -4.923 -28.730 1.00 0.00 H new ATOM 0 HA ASP A 42 16.626 -3.183 -29.890 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.437 -1.448 -29.321 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.780 -2.396 -28.002 1.00 0.00 H new ATOM 627 N GLN A 43 19.238 -3.681 -31.771 1.00 0.00 N ATOM 628 CA GLN A 43 19.762 -3.512 -33.117 1.00 0.00 C ATOM 629 C GLN A 43 18.917 -4.290 -34.127 1.00 0.00 C ATOM 630 O GLN A 43 18.796 -3.885 -35.282 1.00 0.00 O ATOM 631 CB GLN A 43 21.205 -4.016 -33.127 1.00 0.00 C ATOM 632 CG GLN A 43 21.902 -3.788 -34.473 1.00 0.00 C ATOM 633 CD GLN A 43 22.146 -2.313 -34.781 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.824 -1.430 -33.992 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.722 -2.036 -35.945 1.00 0.00 N ATOM 0 H GLN A 43 19.788 -4.316 -31.193 1.00 0.00 H new ATOM 0 HA GLN A 43 19.728 -2.460 -33.402 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.767 -3.511 -32.341 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.215 -5.081 -32.893 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.856 -4.316 -34.475 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.295 -4.223 -35.267 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.978 -2.792 -36.580 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.908 -1.067 -36.204 1.00 0.00 H new ATOM 644 N ASP A 44 18.333 -5.409 -33.694 1.00 0.00 N ATOM 645 CA ASP A 44 17.515 -6.240 -34.559 1.00 0.00 C ATOM 646 C ASP A 44 16.123 -5.680 -34.845 1.00 0.00 C ATOM 647 O ASP A 44 15.636 -5.787 -35.967 1.00 0.00 O ATOM 648 CB ASP A 44 17.454 -7.672 -34.023 1.00 0.00 C ATOM 649 CG ASP A 44 18.766 -8.432 -34.210 1.00 0.00 C ATOM 650 OD1 ASP A 44 19.719 -7.849 -34.777 1.00 0.00 O ATOM 651 OD2 ASP A 44 18.806 -9.603 -33.778 1.00 0.00 O ATOM 0 H ASP A 44 18.417 -5.757 -32.739 1.00 0.00 H new ATOM 0 HA ASP A 44 18.011 -6.244 -35.530 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.202 -7.648 -32.963 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.653 -8.210 -34.529 1.00 0.00 H new ATOM 656 N ILE A 45 15.478 -5.078 -33.843 1.00 0.00 N ATOM 657 CA ILE A 45 14.179 -4.455 -34.043 1.00 0.00 C ATOM 658 C ILE A 45 14.370 -3.148 -34.814 1.00 0.00 C ATOM 659 O ILE A 45 13.456 -2.691 -35.496 1.00 0.00 O ATOM 660 CB ILE A 45 13.494 -4.225 -32.688 1.00 0.00 C ATOM 661 CG1 ILE A 45 12.017 -3.889 -32.921 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.171 -3.107 -31.897 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.251 -3.818 -31.602 1.00 0.00 C ATOM 0 H ILE A 45 15.837 -5.012 -32.891 1.00 0.00 H new ATOM 0 HA ILE A 45 13.531 -5.108 -34.628 1.00 0.00 H new ATOM 0 HB ILE A 45 13.579 -5.138 -32.099 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.936 -2.935 -33.443 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.567 -4.644 -33.565 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.658 -2.973 -30.944 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.213 -3.370 -31.715 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.125 -2.179 -32.467 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.206 -3.578 -31.800 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.312 -4.780 -31.094 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.687 -3.045 -30.969 1.00 0.00 H new ATOM 675 N LEU A 46 15.559 -2.542 -34.716 1.00 0.00 N ATOM 676 CA LEU A 46 15.874 -1.348 -35.480 1.00 0.00 C ATOM 677 C LEU A 46 15.915 -1.688 -36.967 1.00 0.00 C ATOM 678 O LEU A 46 15.261 -1.028 -37.769 1.00 0.00 O ATOM 679 CB LEU A 46 17.218 -0.794 -34.998 1.00 0.00 C ATOM 680 CG LEU A 46 17.713 0.374 -35.855 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.808 1.597 -35.724 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.127 0.755 -35.421 1.00 0.00 C ATOM 0 H LEU A 46 16.314 -2.866 -34.112 1.00 0.00 H new ATOM 0 HA LEU A 46 15.108 -0.587 -35.331 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.122 -0.466 -33.963 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.962 -1.591 -35.012 1.00 0.00 H new ATOM 0 HG LEU A 46 17.702 0.052 -36.896 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.194 2.404 -36.348 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.799 1.339 -36.047 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.784 1.922 -34.684 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.483 1.587 -36.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.118 1.051 -34.372 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.790 -0.100 -35.552 1.00 0.00 H new ATOM 694 N GLN A 47 16.685 -2.717 -37.334 1.00 0.00 N ATOM 695 CA GLN A 47 16.831 -3.124 -38.724 1.00 0.00 C ATOM 696 C GLN A 47 15.512 -3.625 -39.305 1.00 0.00 C ATOM 697 O GLN A 47 15.330 -3.612 -40.522 1.00 0.00 O ATOM 698 CB GLN A 47 17.902 -4.211 -38.812 1.00 0.00 C ATOM 699 CG GLN A 47 19.297 -3.639 -38.541 1.00 0.00 C ATOM 700 CD GLN A 47 19.864 -2.890 -39.744 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.244 -2.815 -40.801 1.00 0.00 O ATOM 702 NE2 GLN A 47 21.059 -2.326 -39.593 1.00 0.00 N ATOM 0 H GLN A 47 17.219 -3.285 -36.676 1.00 0.00 H new ATOM 0 HA GLN A 47 17.132 -2.258 -39.313 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.683 -4.999 -38.092 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.880 -4.668 -39.801 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.250 -2.965 -37.686 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.973 -4.450 -38.270 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.551 -2.405 -38.703 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.483 -1.815 -40.367 1.00 0.00 H new ATOM 711 N MET A 48 14.592 -4.067 -38.445 1.00 0.00 N ATOM 712 CA MET A 48 13.274 -4.500 -38.879 1.00 0.00 C ATOM 713 C MET A 48 12.384 -3.297 -39.194 1.00 0.00 C ATOM 714 O MET A 48 11.482 -3.399 -40.027 1.00 0.00 O ATOM 715 CB MET A 48 12.663 -5.370 -37.775 1.00 0.00 C ATOM 716 CG MET A 48 11.220 -5.779 -38.089 1.00 0.00 C ATOM 717 SD MET A 48 11.038 -6.876 -39.521 1.00 0.00 S ATOM 718 CE MET A 48 11.738 -8.402 -38.833 1.00 0.00 C ATOM 0 H MET A 48 14.743 -4.132 -37.438 1.00 0.00 H new ATOM 0 HA MET A 48 13.357 -5.083 -39.796 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.271 -6.265 -37.642 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.687 -4.825 -36.831 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.798 -6.273 -37.214 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.631 -4.878 -38.261 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.530 -9.233 -39.507 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.816 -8.288 -38.718 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.289 -8.602 -37.860 1.00 0.00 H new ATOM 728 N PHE A 49 12.633 -2.157 -38.534 1.00 0.00 N ATOM 729 CA PHE A 49 11.818 -0.962 -38.676 1.00 0.00 C ATOM 730 C PHE A 49 12.384 0.193 -39.502 1.00 0.00 C ATOM 731 O PHE A 49 11.653 1.126 -39.832 1.00 0.00 O ATOM 732 CB PHE A 49 11.226 -0.529 -37.335 1.00 0.00 C ATOM 733 CG PHE A 49 10.060 -1.380 -36.873 1.00 0.00 C ATOM 734 CD1 PHE A 49 8.765 -0.843 -36.843 1.00 0.00 C ATOM 735 CD2 PHE A 49 10.269 -2.706 -36.472 1.00 0.00 C ATOM 736 CE1 PHE A 49 7.683 -1.636 -36.432 1.00 0.00 C ATOM 737 CE2 PHE A 49 9.188 -3.498 -36.068 1.00 0.00 C ATOM 738 CZ PHE A 49 7.891 -2.966 -36.050 1.00 0.00 C ATOM 0 H PHE A 49 13.412 -2.047 -37.885 1.00 0.00 H new ATOM 0 HA PHE A 49 11.005 -1.286 -39.326 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.008 -0.560 -36.577 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.898 0.508 -37.412 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.600 0.183 -37.137 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.267 -3.118 -36.475 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.687 -1.219 -36.410 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.354 -4.523 -35.769 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.057 -3.579 -35.743 1.00 0.00 H new ATOM 748 N MET A 50 13.674 0.145 -39.851 1.00 0.00 N ATOM 749 CA MET A 50 14.281 1.199 -40.654 1.00 0.00 C ATOM 750 C MET A 50 13.761 1.301 -42.096 1.00 0.00 C ATOM 751 O MET A 50 13.742 2.412 -42.629 1.00 0.00 O ATOM 752 CB MET A 50 15.803 1.050 -40.675 1.00 0.00 C ATOM 753 CG MET A 50 16.424 1.550 -39.372 1.00 0.00 C ATOM 754 SD MET A 50 18.199 1.902 -39.476 1.00 0.00 S ATOM 755 CE MET A 50 18.814 0.237 -39.816 1.00 0.00 C ATOM 0 H MET A 50 14.310 -0.609 -39.590 1.00 0.00 H new ATOM 0 HA MET A 50 13.986 2.125 -40.161 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.067 0.004 -40.829 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.214 1.609 -41.515 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.904 2.456 -39.060 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.259 0.804 -38.595 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.902 0.256 -39.877 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.507 -0.435 -39.015 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.404 -0.116 -40.762 1.00 0.00 H new ATOM 765 N PRO A 51 13.332 0.220 -42.774 1.00 0.00 N ATOM 766 CA PRO A 51 12.834 0.339 -44.139 1.00 0.00 C ATOM 767 C PRO A 51 11.455 0.997 -44.195 1.00 0.00 C ATOM 768 O PRO A 51 10.983 1.342 -45.277 1.00 0.00 O ATOM 769 CB PRO A 51 12.787 -1.094 -44.671 1.00 0.00 C ATOM 770 CG PRO A 51 12.504 -1.911 -43.414 1.00 0.00 C ATOM 771 CD PRO A 51 13.298 -1.168 -42.342 1.00 0.00 C ATOM 0 HA PRO A 51 13.478 0.980 -44.740 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.006 -1.222 -45.421 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.728 -1.383 -45.138 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.439 -1.940 -43.182 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.835 -2.944 -43.520 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.823 -1.263 -41.366 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.305 -1.574 -42.248 1.00 0.00 H new ATOM 779 N PHE A 52 10.802 1.176 -43.042 1.00 0.00 N ATOM 780 CA PHE A 52 9.494 1.807 -42.970 1.00 0.00 C ATOM 781 C PHE A 52 9.596 3.329 -42.878 1.00 0.00 C ATOM 782 O PHE A 52 8.608 4.025 -43.100 1.00 0.00 O ATOM 783 CB PHE A 52 8.744 1.241 -41.764 1.00 0.00 C ATOM 784 CG PHE A 52 8.542 -0.254 -41.809 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.751 -1.021 -40.655 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.156 -0.886 -43.000 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.588 -2.410 -40.690 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.999 -2.278 -43.040 1.00 0.00 C ATOM 789 CZ PHE A 52 8.214 -3.044 -41.884 1.00 0.00 C ATOM 0 H PHE A 52 11.171 0.885 -42.137 1.00 0.00 H new ATOM 0 HA PHE A 52 8.948 1.587 -43.887 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.292 1.495 -40.857 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.770 1.726 -41.695 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.039 -0.537 -39.734 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.979 -0.298 -43.889 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.750 -2.995 -39.797 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.712 -2.762 -43.962 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.092 -4.117 -41.914 1.00 0.00 H new ATOM 799 N GLY A 53 10.785 3.850 -42.552 1.00 0.00 N ATOM 800 CA GLY A 53 11.018 5.280 -42.444 1.00 0.00 C ATOM 801 C GLY A 53 12.207 5.581 -41.536 1.00 0.00 C ATOM 802 O GLY A 53 12.910 4.670 -41.098 1.00 0.00 O ATOM 0 H GLY A 53 11.610 3.283 -42.357 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.200 5.697 -43.435 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.125 5.767 -42.052 1.00 0.00 H new ATOM 806 N ASN A 54 12.437 6.864 -41.247 1.00 0.00 N ATOM 807 CA ASN A 54 13.573 7.274 -40.440 1.00 0.00 C ATOM 808 C ASN A 54 13.297 7.019 -38.962 1.00 0.00 C ATOM 809 O ASN A 54 12.575 7.780 -38.317 1.00 0.00 O ATOM 810 CB ASN A 54 13.869 8.750 -40.701 1.00 0.00 C ATOM 811 CG ASN A 54 14.983 9.263 -39.800 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.919 8.538 -39.471 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.892 10.526 -39.393 1.00 0.00 N ATOM 0 H ASN A 54 11.847 7.633 -41.564 1.00 0.00 H new ATOM 0 HA ASN A 54 14.448 6.686 -40.716 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.152 8.886 -41.745 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.966 9.338 -40.536 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.613 10.920 -38.789 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.101 11.100 -39.685 1.00 0.00 H new ATOM 820 N VAL A 55 13.881 5.946 -38.432 1.00 0.00 N ATOM 821 CA VAL A 55 13.761 5.601 -37.022 1.00 0.00 C ATOM 822 C VAL A 55 14.756 6.423 -36.220 1.00 0.00 C ATOM 823 O VAL A 55 15.958 6.384 -36.496 1.00 0.00 O ATOM 824 CB VAL A 55 14.019 4.102 -36.848 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.980 3.713 -35.373 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.962 3.294 -37.598 1.00 0.00 C ATOM 0 H VAL A 55 14.450 5.293 -38.970 1.00 0.00 H new ATOM 0 HA VAL A 55 12.757 5.824 -36.660 1.00 0.00 H new ATOM 0 HB VAL A 55 15.008 3.884 -37.252 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.166 2.644 -35.274 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.746 4.266 -34.830 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.000 3.951 -34.960 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.157 2.230 -37.466 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.974 3.534 -37.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 13.000 3.541 -38.659 1.00 0.00 H new ATOM 836 N ILE A 56 14.274 7.168 -35.220 1.00 0.00 N ATOM 837 CA ILE A 56 15.141 7.980 -34.374 1.00 0.00 C ATOM 838 C ILE A 56 15.680 7.143 -33.214 1.00 0.00 C ATOM 839 O ILE A 56 16.780 7.394 -32.724 1.00 0.00 O ATOM 840 CB ILE A 56 14.366 9.192 -33.842 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.691 9.959 -34.986 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.322 10.117 -33.081 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.930 11.180 -34.458 1.00 0.00 C ATOM 0 H ILE A 56 13.284 7.222 -34.980 1.00 0.00 H new ATOM 0 HA ILE A 56 15.984 8.334 -34.967 1.00 0.00 H new ATOM 0 HB ILE A 56 13.587 8.837 -33.168 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.443 10.279 -35.707 1.00 0.00 H new ATOM 0 HG13 ILE A 56 13.004 9.299 -35.515 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.771 10.978 -32.703 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.765 9.575 -32.246 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.111 10.457 -33.752 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.462 11.705 -35.291 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.162 10.855 -33.756 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.624 11.850 -33.951 1.00 0.00 H new ATOM 855 N SER A 57 14.903 6.152 -32.771 1.00 0.00 N ATOM 856 CA SER A 57 15.273 5.307 -31.647 1.00 0.00 C ATOM 857 C SER A 57 14.596 3.948 -31.756 1.00 0.00 C ATOM 858 O SER A 57 13.490 3.836 -32.280 1.00 0.00 O ATOM 859 CB SER A 57 14.893 6.001 -30.337 1.00 0.00 C ATOM 860 OG SER A 57 15.216 5.191 -29.229 1.00 0.00 O ATOM 0 H SER A 57 14.001 5.917 -33.185 1.00 0.00 H new ATOM 0 HA SER A 57 16.351 5.146 -31.660 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.415 6.955 -30.261 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.825 6.221 -30.333 1.00 0.00 H new ATOM 0 HG SER A 57 14.967 5.654 -28.402 1.00 0.00 H new ATOM 866 N ALA A 58 15.270 2.914 -31.253 1.00 0.00 N ATOM 867 CA ALA A 58 14.781 1.550 -31.283 1.00 0.00 C ATOM 868 C ALA A 58 15.391 0.780 -30.116 1.00 0.00 C ATOM 869 O ALA A 58 16.576 0.941 -29.819 1.00 0.00 O ATOM 870 CB ALA A 58 15.162 0.910 -32.616 1.00 0.00 C ATOM 0 H ALA A 58 16.183 3.009 -30.809 1.00 0.00 H new ATOM 0 HA ALA A 58 13.695 1.531 -31.187 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.797 -0.117 -32.644 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.715 1.477 -33.433 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.247 0.912 -32.724 1.00 0.00 H new ATOM 876 N LYS A 59 14.585 -0.051 -29.452 1.00 0.00 N ATOM 877 CA LYS A 59 15.013 -0.762 -28.261 1.00 0.00 C ATOM 878 C LYS A 59 14.155 -1.998 -28.021 1.00 0.00 C ATOM 879 O LYS A 59 12.956 -1.989 -28.298 1.00 0.00 O ATOM 880 CB LYS A 59 14.945 0.222 -27.081 1.00 0.00 C ATOM 881 CG LYS A 59 15.184 -0.418 -25.709 1.00 0.00 C ATOM 882 CD LYS A 59 13.896 -0.884 -25.015 1.00 0.00 C ATOM 883 CE LYS A 59 12.953 0.283 -24.706 1.00 0.00 C ATOM 884 NZ LYS A 59 13.588 1.292 -23.832 1.00 0.00 N ATOM 0 H LYS A 59 13.623 -0.245 -29.729 1.00 0.00 H new ATOM 0 HA LYS A 59 16.035 -1.123 -28.379 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.684 1.008 -27.236 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.966 0.701 -27.079 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.852 -1.271 -25.827 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.694 0.300 -25.066 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.383 -1.606 -25.651 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.150 -1.399 -24.089 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.643 0.755 -25.638 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.051 -0.097 -24.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.865 1.953 -23.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.041 0.817 -23.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.305 1.817 -24.372 1.00 0.00 H new ATOM 898 N VAL A 60 14.767 -3.066 -27.501 1.00 0.00 N ATOM 899 CA VAL A 60 14.034 -4.230 -27.020 1.00 0.00 C ATOM 900 C VAL A 60 14.211 -4.217 -25.507 1.00 0.00 C ATOM 901 O VAL A 60 15.317 -3.993 -25.019 1.00 0.00 O ATOM 902 CB VAL A 60 14.609 -5.507 -27.636 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.198 -6.750 -26.846 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.085 -5.649 -29.064 1.00 0.00 C ATOM 0 H VAL A 60 15.779 -3.144 -27.404 1.00 0.00 H new ATOM 0 HA VAL A 60 12.980 -4.201 -27.296 1.00 0.00 H new ATOM 0 HB VAL A 60 15.696 -5.429 -27.619 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.626 -7.637 -27.314 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.564 -6.668 -25.822 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.111 -6.833 -26.837 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.490 -6.557 -29.511 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.997 -5.706 -29.048 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.394 -4.785 -29.653 1.00 0.00 H new ATOM 914 N PHE A 61 13.131 -4.450 -24.764 1.00 0.00 N ATOM 915 CA PHE A 61 13.182 -4.400 -23.314 1.00 0.00 C ATOM 916 C PHE A 61 14.045 -5.487 -22.680 1.00 0.00 C ATOM 917 O PHE A 61 14.178 -6.572 -23.243 1.00 0.00 O ATOM 918 CB PHE A 61 11.778 -4.329 -22.722 1.00 0.00 C ATOM 919 CG PHE A 61 11.088 -3.005 -22.954 1.00 0.00 C ATOM 920 CD1 PHE A 61 10.222 -2.850 -24.045 1.00 0.00 C ATOM 921 CD2 PHE A 61 11.308 -1.935 -22.080 1.00 0.00 C ATOM 922 CE1 PHE A 61 9.578 -1.622 -24.267 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.653 -0.714 -22.293 1.00 0.00 C ATOM 924 CZ PHE A 61 9.792 -0.556 -23.386 1.00 0.00 C ATOM 0 H PHE A 61 12.213 -4.675 -25.147 1.00 0.00 H new ATOM 0 HA PHE A 61 13.697 -3.475 -23.056 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.171 -5.125 -23.152 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.835 -4.516 -21.650 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.049 -3.678 -24.717 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.981 -2.049 -21.243 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.920 -1.501 -25.115 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.813 0.108 -21.611 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.293 0.388 -23.549 1.00 0.00 H new ATOM 934 N ILE A 62 14.631 -5.212 -21.512 1.00 0.00 N ATOM 935 CA ILE A 62 15.517 -6.147 -20.831 1.00 0.00 C ATOM 936 C ILE A 62 15.075 -6.342 -19.383 1.00 0.00 C ATOM 937 O ILE A 62 14.638 -5.397 -18.730 1.00 0.00 O ATOM 938 CB ILE A 62 16.962 -5.628 -20.888 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.466 -5.387 -22.316 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.877 -6.615 -20.169 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.543 -6.662 -23.158 1.00 0.00 C ATOM 0 H ILE A 62 14.501 -4.331 -21.014 1.00 0.00 H new ATOM 0 HA ILE A 62 15.468 -7.113 -21.334 1.00 0.00 H new ATOM 0 HB ILE A 62 16.976 -4.658 -20.392 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.806 -4.674 -22.810 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.454 -4.930 -22.272 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.904 -6.252 -20.206 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.563 -6.711 -19.130 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.818 -7.588 -20.657 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.907 -6.418 -24.156 1.00 0.00 H new ATOM 0 HD12 ILE A 62 18.225 -7.369 -22.686 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.552 -7.109 -23.233 1.00 0.00 H new ATOM 953 N ASP A 63 15.193 -7.574 -18.881 1.00 0.00 N ATOM 954 CA ASP A 63 14.894 -7.885 -17.488 1.00 0.00 C ATOM 955 C ASP A 63 16.156 -7.671 -16.647 1.00 0.00 C ATOM 956 O ASP A 63 17.228 -8.145 -17.007 1.00 0.00 O ATOM 957 CB ASP A 63 14.415 -9.333 -17.396 1.00 0.00 C ATOM 958 CG ASP A 63 13.966 -9.734 -15.995 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.507 -10.887 -15.852 1.00 0.00 O ATOM 960 OD2 ASP A 63 14.080 -8.897 -15.072 1.00 0.00 O ATOM 0 H ASP A 63 15.498 -8.378 -19.429 1.00 0.00 H new ATOM 0 HA ASP A 63 14.108 -7.232 -17.108 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.588 -9.479 -18.090 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.220 -9.995 -17.715 1.00 0.00 H new ATOM 965 N LYS A 64 16.030 -6.956 -15.527 1.00 0.00 N ATOM 966 CA LYS A 64 17.159 -6.661 -14.651 1.00 0.00 C ATOM 967 C LYS A 64 17.574 -7.883 -13.830 1.00 0.00 C ATOM 968 O LYS A 64 18.635 -7.879 -13.213 1.00 0.00 O ATOM 969 CB LYS A 64 16.760 -5.499 -13.739 1.00 0.00 C ATOM 970 CG LYS A 64 15.617 -5.906 -12.805 1.00 0.00 C ATOM 971 CD LYS A 64 14.909 -4.674 -12.246 1.00 0.00 C ATOM 972 CE LYS A 64 14.138 -3.968 -13.362 1.00 0.00 C ATOM 973 NZ LYS A 64 13.379 -2.816 -12.836 1.00 0.00 N ATOM 0 H LYS A 64 15.144 -6.567 -15.205 1.00 0.00 H new ATOM 0 HA LYS A 64 18.024 -6.387 -15.255 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.621 -5.181 -13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.455 -4.645 -14.344 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.903 -6.527 -13.346 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.008 -6.509 -11.986 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.226 -4.966 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.638 -3.992 -11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.833 -3.630 -14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.455 -4.671 -13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.865 -2.355 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.701 -3.145 -12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.036 -2.136 -12.404 1.00 0.00 H new ATOM 987 N GLN A 65 16.740 -8.928 -13.818 1.00 0.00 N ATOM 988 CA GLN A 65 16.987 -10.140 -13.045 1.00 0.00 C ATOM 989 C GLN A 65 17.763 -11.201 -13.822 1.00 0.00 C ATOM 990 O GLN A 65 18.383 -12.075 -13.220 1.00 0.00 O ATOM 991 CB GLN A 65 15.645 -10.721 -12.625 1.00 0.00 C ATOM 992 CG GLN A 65 14.963 -9.802 -11.607 1.00 0.00 C ATOM 993 CD GLN A 65 13.462 -10.030 -11.569 1.00 0.00 C ATOM 994 OE1 GLN A 65 12.895 -10.327 -10.522 1.00 0.00 O ATOM 995 NE2 GLN A 65 12.804 -9.899 -12.718 1.00 0.00 N ATOM 0 H GLN A 65 15.870 -8.952 -14.350 1.00 0.00 H new ATOM 0 HA GLN A 65 17.599 -9.863 -12.186 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.005 -10.845 -13.499 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.789 -11.711 -12.192 1.00 0.00 H new ATOM 0 HG2 GLN A 65 15.384 -9.978 -10.617 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.168 -8.762 -11.860 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.308 -9.651 -13.569 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.795 -10.047 -12.748 1.00 0.00 H new ATOM 1004 N THR A 66 17.725 -11.126 -15.156 1.00 0.00 N ATOM 1005 CA THR A 66 18.336 -12.124 -16.027 1.00 0.00 C ATOM 1006 C THR A 66 19.113 -11.543 -17.195 1.00 0.00 C ATOM 1007 O THR A 66 19.894 -12.247 -17.836 1.00 0.00 O ATOM 1008 CB THR A 66 17.313 -13.165 -16.498 1.00 0.00 C ATOM 1009 OG1 THR A 66 16.737 -12.727 -17.708 1.00 0.00 O ATOM 1010 CG2 THR A 66 16.184 -13.387 -15.492 1.00 0.00 C ATOM 0 H THR A 66 17.267 -10.367 -15.660 1.00 0.00 H new ATOM 0 HA THR A 66 19.079 -12.626 -15.407 1.00 0.00 H new ATOM 0 HB THR A 66 17.849 -14.107 -16.617 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.083 -13.388 -18.017 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.492 -14.134 -15.881 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.602 -13.736 -14.548 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.652 -12.450 -15.329 1.00 0.00 H new ATOM 1018 N ASN A 67 18.889 -10.254 -17.458 1.00 0.00 N ATOM 1019 CA ASN A 67 19.511 -9.518 -18.552 1.00 0.00 C ATOM 1020 C ASN A 67 19.152 -10.086 -19.930 1.00 0.00 C ATOM 1021 O ASN A 67 19.735 -9.681 -20.936 1.00 0.00 O ATOM 1022 CB ASN A 67 21.021 -9.387 -18.320 1.00 0.00 C ATOM 1023 CG ASN A 67 21.348 -8.583 -17.068 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.525 -7.827 -16.564 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.567 -8.742 -16.558 1.00 0.00 N ATOM 0 H ASN A 67 18.254 -9.682 -16.901 1.00 0.00 H new ATOM 0 HA ASN A 67 19.097 -8.510 -18.556 1.00 0.00 H new ATOM 0 HB2 ASN A 67 21.461 -10.381 -18.235 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.479 -8.909 -19.186 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.841 -8.226 -15.722 1.00 0.00 H new ATOM 0 HD22 ASN A 67 23.227 -9.380 -17.003 1.00 0.00 H new ATOM 1032 N LEU A 68 18.197 -11.021 -19.987 1.00 0.00 N ATOM 1033 CA LEU A 68 17.714 -11.570 -21.245 1.00 0.00 C ATOM 1034 C LEU A 68 16.681 -10.633 -21.873 1.00 0.00 C ATOM 1035 O LEU A 68 16.102 -9.784 -21.193 1.00 0.00 O ATOM 1036 CB LEU A 68 17.115 -12.961 -21.008 1.00 0.00 C ATOM 1037 CG LEU A 68 18.145 -13.945 -20.444 1.00 0.00 C ATOM 1038 CD1 LEU A 68 17.479 -15.300 -20.231 1.00 0.00 C ATOM 1039 CD2 LEU A 68 19.328 -14.123 -21.397 1.00 0.00 C ATOM 0 H LEU A 68 17.743 -11.413 -19.162 1.00 0.00 H new ATOM 0 HA LEU A 68 18.550 -11.664 -21.938 1.00 0.00 H new ATOM 0 HB2 LEU A 68 16.276 -12.881 -20.317 1.00 0.00 H new ATOM 0 HB3 LEU A 68 16.720 -13.349 -21.947 1.00 0.00 H new ATOM 0 HG LEU A 68 18.517 -13.543 -19.501 1.00 0.00 H new ATOM 0 HD11 LEU A 68 18.208 -16.004 -19.830 1.00 0.00 H new ATOM 0 HD12 LEU A 68 16.653 -15.193 -19.528 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.100 -15.673 -21.183 1.00 0.00 H new ATOM 0 HD21 LEU A 68 20.040 -14.827 -20.966 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.971 -14.507 -22.353 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.818 -13.162 -21.552 1.00 0.00 H new ATOM 1051 N SER A 69 16.447 -10.788 -23.179 1.00 0.00 N ATOM 1052 CA SER A 69 15.486 -9.968 -23.900 1.00 0.00 C ATOM 1053 C SER A 69 14.066 -10.278 -23.451 1.00 0.00 C ATOM 1054 O SER A 69 13.695 -11.442 -23.306 1.00 0.00 O ATOM 1055 CB SER A 69 15.614 -10.208 -25.404 1.00 0.00 C ATOM 1056 OG SER A 69 16.893 -9.803 -25.847 1.00 0.00 O ATOM 0 H SER A 69 16.918 -11.483 -23.758 1.00 0.00 H new ATOM 0 HA SER A 69 15.700 -8.922 -23.681 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.459 -11.264 -25.627 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.842 -9.653 -25.937 1.00 0.00 H new ATOM 0 HG SER A 69 16.902 -9.761 -26.826 1.00 0.00 H new ATOM 1062 N LYS A 70 13.264 -9.231 -23.230 1.00 0.00 N ATOM 1063 CA LYS A 70 11.848 -9.382 -22.940 1.00 0.00 C ATOM 1064 C LYS A 70 11.085 -9.648 -24.232 1.00 0.00 C ATOM 1065 O LYS A 70 11.625 -9.495 -25.327 1.00 0.00 O ATOM 1066 CB LYS A 70 11.303 -8.149 -22.216 1.00 0.00 C ATOM 1067 CG LYS A 70 11.933 -7.994 -20.829 1.00 0.00 C ATOM 1068 CD LYS A 70 11.105 -7.001 -20.017 1.00 0.00 C ATOM 1069 CE LYS A 70 11.673 -6.840 -18.607 1.00 0.00 C ATOM 1070 NZ LYS A 70 10.930 -5.812 -17.851 1.00 0.00 N ATOM 0 H LYS A 70 13.583 -8.262 -23.249 1.00 0.00 H new ATOM 0 HA LYS A 70 11.712 -10.234 -22.274 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.503 -7.258 -22.810 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.220 -8.231 -22.119 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.969 -8.958 -20.322 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.961 -7.643 -20.919 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.093 -6.034 -20.521 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.072 -7.344 -19.960 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.622 -7.792 -18.079 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.726 -6.564 -18.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.335 -5.722 -16.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.000 -4.899 -18.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.930 -6.090 -17.778 1.00 0.00 H new ATOM 1084 N CYS A 71 9.820 -10.050 -24.102 1.00 0.00 N ATOM 1085 CA CYS A 71 8.982 -10.420 -25.234 1.00 0.00 C ATOM 1086 C CYS A 71 8.446 -9.226 -26.028 1.00 0.00 C ATOM 1087 O CYS A 71 7.516 -9.397 -26.817 1.00 0.00 O ATOM 1088 CB CYS A 71 7.840 -11.314 -24.749 1.00 0.00 C ATOM 1089 SG CYS A 71 8.526 -12.887 -24.175 1.00 0.00 S ATOM 0 H CYS A 71 9.349 -10.127 -23.201 1.00 0.00 H new ATOM 0 HA CYS A 71 9.615 -10.966 -25.933 1.00 0.00 H new ATOM 0 HB2 CYS A 71 7.295 -10.824 -23.942 1.00 0.00 H new ATOM 0 HB3 CYS A 71 7.128 -11.486 -25.556 1.00 0.00 H new ATOM 0 HG CYS A 71 7.563 -13.654 -23.758 1.00 0.00 H new ATOM 1095 N PHE A 72 8.995 -8.018 -25.850 1.00 0.00 N ATOM 1096 CA PHE A 72 8.463 -6.858 -26.555 1.00 0.00 C ATOM 1097 C PHE A 72 9.541 -5.770 -26.564 1.00 0.00 C ATOM 1098 O PHE A 72 10.583 -5.891 -25.917 1.00 0.00 O ATOM 1099 CB PHE A 72 7.217 -6.383 -25.796 1.00 0.00 C ATOM 1100 CG PHE A 72 7.444 -5.584 -24.536 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.036 -4.245 -24.500 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.034 -6.172 -23.410 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.204 -3.494 -23.330 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.209 -5.419 -22.241 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.787 -4.082 -22.198 1.00 0.00 C ATOM 0 H PHE A 72 9.788 -7.826 -25.238 1.00 0.00 H new ATOM 0 HA PHE A 72 8.192 -7.095 -27.584 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.616 -5.779 -26.476 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.623 -7.260 -25.538 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.592 -3.792 -25.374 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.353 -7.203 -23.443 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.885 -2.463 -23.299 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.669 -5.868 -21.373 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.911 -3.505 -21.293 1.00 0.00 H new ATOM 1115 N GLY A 73 9.272 -4.697 -27.316 1.00 0.00 N ATOM 1116 CA GLY A 73 10.197 -3.599 -27.536 1.00 0.00 C ATOM 1117 C GLY A 73 9.485 -2.295 -27.898 1.00 0.00 C ATOM 1118 O GLY A 73 8.257 -2.204 -27.862 1.00 0.00 O ATOM 0 H GLY A 73 8.381 -4.573 -27.797 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.794 -3.446 -26.637 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.888 -3.866 -28.336 1.00 0.00 H new ATOM 1122 N PHE A 74 10.283 -1.287 -28.252 1.00 0.00 N ATOM 1123 CA PHE A 74 9.852 0.066 -28.573 1.00 0.00 C ATOM 1124 C PHE A 74 10.616 0.733 -29.721 1.00 0.00 C ATOM 1125 O PHE A 74 11.824 0.540 -29.848 1.00 0.00 O ATOM 1126 CB PHE A 74 9.766 0.911 -27.298 1.00 0.00 C ATOM 1127 CG PHE A 74 9.939 2.398 -27.514 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.083 3.042 -27.022 1.00 0.00 C ATOM 1129 CD2 PHE A 74 8.971 3.123 -28.220 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.294 4.398 -27.316 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.176 4.478 -28.499 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.343 5.113 -28.058 1.00 0.00 C ATOM 0 H PHE A 74 11.294 -1.401 -28.325 1.00 0.00 H new ATOM 0 HA PHE A 74 8.846 -0.012 -28.986 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.799 0.736 -26.827 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.528 0.568 -26.599 1.00 0.00 H new ATOM 0 HD1 PHE A 74 11.797 2.498 -26.421 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.065 2.635 -28.549 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.190 4.892 -26.970 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.435 5.034 -29.054 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.511 6.154 -28.289 1.00 0.00 H new ATOM 1142 N VAL A 75 9.922 1.515 -30.557 1.00 0.00 N ATOM 1143 CA VAL A 75 10.504 2.181 -31.725 1.00 0.00 C ATOM 1144 C VAL A 75 9.836 3.542 -31.951 1.00 0.00 C ATOM 1145 O VAL A 75 8.685 3.731 -31.565 1.00 0.00 O ATOM 1146 CB VAL A 75 10.365 1.278 -32.968 1.00 0.00 C ATOM 1147 CG1 VAL A 75 11.020 1.916 -34.194 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.001 -0.098 -32.759 1.00 0.00 C ATOM 0 H VAL A 75 8.927 1.704 -30.438 1.00 0.00 H new ATOM 0 HA VAL A 75 11.565 2.356 -31.546 1.00 0.00 H new ATOM 0 HB VAL A 75 9.294 1.160 -33.129 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.905 1.255 -35.053 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.542 2.873 -34.405 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.080 2.076 -33.998 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.877 -0.697 -33.661 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.063 0.021 -32.545 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.516 -0.600 -31.921 1.00 0.00 H new ATOM 1158 N SER A 76 10.535 4.497 -32.575 1.00 0.00 N ATOM 1159 CA SER A 76 9.971 5.816 -32.849 1.00 0.00 C ATOM 1160 C SER A 76 10.504 6.425 -34.149 1.00 0.00 C ATOM 1161 O SER A 76 11.656 6.206 -34.518 1.00 0.00 O ATOM 1162 CB SER A 76 10.227 6.750 -31.667 1.00 0.00 C ATOM 1163 OG SER A 76 9.761 8.052 -31.954 1.00 0.00 O ATOM 0 H SER A 76 11.495 4.377 -32.899 1.00 0.00 H new ATOM 0 HA SER A 76 8.897 5.690 -32.983 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.727 6.366 -30.778 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.294 6.780 -31.444 1.00 0.00 H new ATOM 0 HG SER A 76 8.931 7.996 -32.472 1.00 0.00 H new ATOM 1169 N TYR A 77 9.645 7.189 -34.831 1.00 0.00 N ATOM 1170 CA TYR A 77 9.934 7.845 -36.102 1.00 0.00 C ATOM 1171 C TYR A 77 10.009 9.367 -36.034 1.00 0.00 C ATOM 1172 O TYR A 77 9.626 9.953 -35.026 1.00 0.00 O ATOM 1173 CB TYR A 77 8.906 7.411 -37.145 1.00 0.00 C ATOM 1174 CG TYR A 77 9.026 5.965 -37.544 1.00 0.00 C ATOM 1175 CD1 TYR A 77 9.865 5.591 -38.601 1.00 0.00 C ATOM 1176 CD2 TYR A 77 8.292 4.999 -36.843 1.00 0.00 C ATOM 1177 CE1 TYR A 77 9.976 4.243 -38.962 1.00 0.00 C ATOM 1178 CE2 TYR A 77 8.398 3.648 -37.199 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.243 3.269 -38.256 1.00 0.00 C ATOM 1180 OH TYR A 77 9.350 1.956 -38.593 1.00 0.00 O ATOM 0 H TYR A 77 8.698 7.371 -34.499 1.00 0.00 H new ATOM 0 HA TYR A 77 10.936 7.523 -36.386 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.905 7.589 -36.752 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.016 8.034 -38.032 1.00 0.00 H new ATOM 0 HD1 TYR A 77 10.426 6.342 -39.137 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.646 5.295 -36.030 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.621 3.951 -39.778 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.832 2.900 -36.663 1.00 0.00 H new ATOM 0 HH TYR A 77 10.220 1.796 -39.015 1.00 0.00 H new ATOM 1190 N ASP A 78 10.494 10.014 -37.099 1.00 0.00 N ATOM 1191 CA ASP A 78 10.481 11.470 -37.191 1.00 0.00 C ATOM 1192 C ASP A 78 9.127 12.017 -37.648 1.00 0.00 C ATOM 1193 O ASP A 78 8.899 13.222 -37.605 1.00 0.00 O ATOM 1194 CB ASP A 78 11.614 11.997 -38.078 1.00 0.00 C ATOM 1195 CG ASP A 78 11.631 11.393 -39.480 1.00 0.00 C ATOM 1196 OD1 ASP A 78 10.762 10.544 -39.782 1.00 0.00 O ATOM 1197 OD2 ASP A 78 12.533 11.800 -40.249 1.00 0.00 O ATOM 0 H ASP A 78 10.901 9.547 -37.909 1.00 0.00 H new ATOM 0 HA ASP A 78 10.651 11.838 -36.179 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.525 13.080 -38.160 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.568 11.792 -37.593 1.00 0.00 H new ATOM 1202 N ASN A 79 8.229 11.129 -38.087 1.00 0.00 N ATOM 1203 CA ASN A 79 6.882 11.489 -38.500 1.00 0.00 C ATOM 1204 C ASN A 79 5.915 10.322 -38.298 1.00 0.00 C ATOM 1205 O ASN A 79 6.326 9.165 -38.358 1.00 0.00 O ATOM 1206 CB ASN A 79 6.868 11.987 -39.953 1.00 0.00 C ATOM 1207 CG ASN A 79 7.610 11.102 -40.949 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.788 9.817 -40.653 1.00 0.00 O flip ATOM 1209 ND2 ASN A 79 8.028 11.581 -41.998 1.00 0.00 N flip ATOM 0 H ASN A 79 8.426 10.131 -38.164 1.00 0.00 H new ATOM 0 HA ASN A 79 6.542 12.309 -37.867 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.832 12.083 -40.278 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.305 12.985 -39.982 1.00 0.00 H new ATOM 0 HD21 ASN A 79 7.879 12.569 -42.202 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.524 10.991 -42.666 1.00 0.00 H new ATOM 1216 N PRO A 80 4.630 10.609 -38.060 1.00 0.00 N ATOM 1217 CA PRO A 80 3.621 9.592 -37.831 1.00 0.00 C ATOM 1218 C PRO A 80 3.287 8.834 -39.116 1.00 0.00 C ATOM 1219 O PRO A 80 2.726 7.741 -39.048 1.00 0.00 O ATOM 1220 CB PRO A 80 2.406 10.363 -37.312 1.00 0.00 C ATOM 1221 CG PRO A 80 2.547 11.727 -37.986 1.00 0.00 C ATOM 1222 CD PRO A 80 4.057 11.939 -37.984 1.00 0.00 C ATOM 0 HA PRO A 80 3.960 8.833 -37.126 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.471 9.873 -37.585 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.416 10.447 -36.225 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.138 11.725 -38.997 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.026 12.509 -37.433 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.369 12.551 -38.830 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.381 12.456 -37.080 1.00 0.00 H new ATOM 1230 N VAL A 81 3.620 9.388 -40.285 1.00 0.00 N ATOM 1231 CA VAL A 81 3.321 8.734 -41.552 1.00 0.00 C ATOM 1232 C VAL A 81 4.063 7.410 -41.675 1.00 0.00 C ATOM 1233 O VAL A 81 3.483 6.396 -42.061 1.00 0.00 O ATOM 1234 CB VAL A 81 3.676 9.661 -42.718 1.00 0.00 C ATOM 1235 CG1 VAL A 81 3.199 9.053 -44.035 1.00 0.00 C ATOM 1236 CG2 VAL A 81 3.035 11.034 -42.528 1.00 0.00 C ATOM 0 H VAL A 81 4.096 10.286 -40.375 1.00 0.00 H new ATOM 0 HA VAL A 81 2.253 8.520 -41.584 1.00 0.00 H new ATOM 0 HB VAL A 81 4.759 9.778 -42.744 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.456 9.720 -44.858 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.682 8.087 -44.186 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.118 8.917 -44.003 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.299 11.678 -43.367 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.951 10.926 -42.480 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.396 11.479 -41.601 1.00 0.00 H new ATOM 1246 N SER A 82 5.355 7.419 -41.339 1.00 0.00 N ATOM 1247 CA SER A 82 6.172 6.215 -41.366 1.00 0.00 C ATOM 1248 C SER A 82 5.772 5.270 -40.241 1.00 0.00 C ATOM 1249 O SER A 82 5.959 4.061 -40.355 1.00 0.00 O ATOM 1250 CB SER A 82 7.645 6.594 -41.208 1.00 0.00 C ATOM 1251 OG SER A 82 8.049 7.421 -42.277 1.00 0.00 O ATOM 0 H SER A 82 5.856 8.257 -41.043 1.00 0.00 H new ATOM 0 HA SER A 82 6.018 5.711 -42.320 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.796 7.111 -40.260 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.260 5.694 -41.182 1.00 0.00 H new ATOM 0 HG SER A 82 8.064 8.355 -41.980 1.00 0.00 H new ATOM 1257 N ALA A 83 5.222 5.813 -39.151 1.00 0.00 N ATOM 1258 CA ALA A 83 4.832 4.998 -38.016 1.00 0.00 C ATOM 1259 C ALA A 83 3.591 4.176 -38.355 1.00 0.00 C ATOM 1260 O ALA A 83 3.563 2.976 -38.092 1.00 0.00 O ATOM 1261 CB ALA A 83 4.587 5.903 -36.808 1.00 0.00 C ATOM 0 H ALA A 83 5.041 6.810 -39.039 1.00 0.00 H new ATOM 0 HA ALA A 83 5.632 4.299 -37.772 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.293 5.296 -35.952 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.501 6.448 -36.570 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.792 6.612 -37.040 1.00 0.00 H new ATOM 1267 N GLN A 84 2.565 4.799 -38.939 1.00 0.00 N ATOM 1268 CA GLN A 84 1.328 4.090 -39.248 1.00 0.00 C ATOM 1269 C GLN A 84 1.554 3.037 -40.327 1.00 0.00 C ATOM 1270 O GLN A 84 0.847 2.031 -40.360 1.00 0.00 O ATOM 1271 CB GLN A 84 0.253 5.092 -39.678 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.097 6.059 -38.545 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.549 5.338 -37.283 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.296 4.365 -37.342 1.00 0.00 O ATOM 1275 NE2 GLN A 84 -0.098 5.814 -36.126 1.00 0.00 N ATOM 0 H GLN A 84 2.568 5.784 -39.204 1.00 0.00 H new ATOM 0 HA GLN A 84 0.989 3.571 -38.352 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.604 5.655 -40.543 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.643 4.555 -39.989 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.772 6.675 -38.316 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.887 6.733 -38.877 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.521 6.624 -36.115 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.371 5.369 -35.250 1.00 0.00 H new ATOM 1284 N ALA A 85 2.534 3.248 -41.211 1.00 0.00 N ATOM 1285 CA ALA A 85 2.879 2.247 -42.206 1.00 0.00 C ATOM 1286 C ALA A 85 3.510 1.036 -41.528 1.00 0.00 C ATOM 1287 O ALA A 85 3.203 -0.101 -41.879 1.00 0.00 O ATOM 1288 CB ALA A 85 3.869 2.846 -43.199 1.00 0.00 C ATOM 0 H ALA A 85 3.095 4.099 -41.252 1.00 0.00 H new ATOM 0 HA ALA A 85 1.976 1.933 -42.729 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.131 2.098 -43.948 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.416 3.708 -43.690 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.769 3.161 -42.671 1.00 0.00 H new ATOM 1294 N ALA A 86 4.390 1.277 -40.554 1.00 0.00 N ATOM 1295 CA ALA A 86 5.083 0.211 -39.860 1.00 0.00 C ATOM 1296 C ALA A 86 4.136 -0.616 -38.984 1.00 0.00 C ATOM 1297 O ALA A 86 4.413 -1.788 -38.728 1.00 0.00 O ATOM 1298 CB ALA A 86 6.201 0.827 -39.027 1.00 0.00 C ATOM 0 H ALA A 86 4.635 2.213 -40.232 1.00 0.00 H new ATOM 0 HA ALA A 86 5.500 -0.479 -40.594 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.735 0.039 -38.496 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.893 1.357 -39.682 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.775 1.526 -38.307 1.00 0.00 H new ATOM 1304 N ILE A 87 3.021 -0.034 -38.518 1.00 0.00 N ATOM 1305 CA ILE A 87 2.034 -0.807 -37.772 1.00 0.00 C ATOM 1306 C ILE A 87 1.401 -1.832 -38.701 1.00 0.00 C ATOM 1307 O ILE A 87 1.348 -3.012 -38.375 1.00 0.00 O ATOM 1308 CB ILE A 87 0.946 0.098 -37.175 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.561 1.063 -36.156 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.129 -0.762 -36.497 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.505 1.899 -35.421 1.00 0.00 C ATOM 0 H ILE A 87 2.788 0.951 -38.644 1.00 0.00 H new ATOM 0 HA ILE A 87 2.538 -1.309 -36.946 1.00 0.00 H new ATOM 0 HB ILE A 87 0.489 0.678 -37.977 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.141 0.495 -35.428 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.256 1.730 -36.666 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.899 -0.116 -36.075 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.578 -1.429 -37.232 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.326 -1.352 -35.701 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.997 2.565 -34.712 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.058 2.490 -36.143 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.175 1.237 -34.885 1.00 0.00 H new ATOM 1323 N GLN A 88 0.925 -1.381 -39.860 1.00 0.00 N ATOM 1324 CA GLN A 88 0.288 -2.262 -40.824 1.00 0.00 C ATOM 1325 C GLN A 88 1.297 -3.222 -41.455 1.00 0.00 C ATOM 1326 O GLN A 88 0.902 -4.175 -42.127 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.395 -1.417 -41.897 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.480 -0.522 -41.289 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.121 0.392 -42.325 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -1.832 0.307 -43.517 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.004 1.280 -41.878 1.00 0.00 N ATOM 0 H GLN A 88 0.971 -0.404 -40.151 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.456 -2.869 -40.308 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.347 -0.800 -42.405 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.837 -2.069 -42.650 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.249 -1.145 -40.832 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.045 0.083 -40.493 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.222 1.326 -40.883 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.463 1.916 -42.530 1.00 0.00 H new ATOM 1340 N ALA A 89 2.594 -2.976 -41.245 1.00 0.00 N ATOM 1341 CA ALA A 89 3.649 -3.800 -41.811 1.00 0.00 C ATOM 1342 C ALA A 89 4.040 -4.966 -40.894 1.00 0.00 C ATOM 1343 O ALA A 89 4.495 -5.994 -41.394 1.00 0.00 O ATOM 1344 CB ALA A 89 4.862 -2.913 -42.060 1.00 0.00 C ATOM 0 H ALA A 89 2.934 -2.200 -40.678 1.00 0.00 H new ATOM 0 HA ALA A 89 3.282 -4.239 -42.739 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.668 -3.510 -42.485 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.594 -2.117 -42.755 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.193 -2.476 -41.118 1.00 0.00 H new ATOM 1350 N MET A 90 3.879 -4.826 -39.570 1.00 0.00 N ATOM 1351 CA MET A 90 4.279 -5.880 -38.640 1.00 0.00 C ATOM 1352 C MET A 90 3.129 -6.407 -37.788 1.00 0.00 C ATOM 1353 O MET A 90 3.194 -7.530 -37.291 1.00 0.00 O ATOM 1354 CB MET A 90 5.449 -5.390 -37.788 1.00 0.00 C ATOM 1355 CG MET A 90 5.750 -6.386 -36.666 1.00 0.00 C ATOM 1356 SD MET A 90 7.473 -6.450 -36.137 1.00 0.00 S ATOM 1357 CE MET A 90 8.108 -7.377 -37.552 1.00 0.00 C ATOM 0 H MET A 90 3.478 -3.999 -39.127 1.00 0.00 H new ATOM 0 HA MET A 90 4.602 -6.737 -39.231 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.332 -5.260 -38.413 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.213 -4.415 -37.363 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.131 -6.136 -35.804 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.451 -7.381 -36.995 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.068 -7.823 -37.293 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.402 -8.164 -37.818 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.237 -6.704 -38.400 1.00 0.00 H new ATOM 1367 N ASN A 91 2.073 -5.619 -37.601 1.00 0.00 N ATOM 1368 CA ASN A 91 0.922 -6.095 -36.852 1.00 0.00 C ATOM 1369 C ASN A 91 0.383 -7.355 -37.529 1.00 0.00 C ATOM 1370 O ASN A 91 0.104 -7.347 -38.726 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.143 -4.998 -36.790 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.292 -5.342 -35.851 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.202 -6.268 -35.048 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.387 -4.593 -35.950 1.00 0.00 N ATOM 0 H ASN A 91 1.994 -4.665 -37.952 1.00 0.00 H new ATOM 0 HA ASN A 91 1.208 -6.340 -35.829 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.320 -4.067 -36.464 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.538 -4.824 -37.791 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.188 -4.779 -35.347 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.425 -3.833 -36.629 1.00 0.00 H new ATOM 1381 N GLY A 92 0.243 -8.434 -36.758 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.235 -9.708 -37.269 1.00 0.00 C ATOM 1383 C GLY A 92 0.866 -10.577 -37.892 1.00 0.00 C ATOM 1384 O GLY A 92 0.549 -11.647 -38.415 1.00 0.00 O ATOM 0 H GLY A 92 0.460 -8.444 -35.761 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.706 -10.261 -36.456 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.006 -9.523 -38.017 1.00 0.00 H new ATOM 1388 N PHE A 93 2.136 -10.149 -37.854 1.00 0.00 N ATOM 1389 CA PHE A 93 3.236 -10.919 -38.424 1.00 0.00 C ATOM 1390 C PHE A 93 3.418 -12.242 -37.682 1.00 0.00 C ATOM 1391 O PHE A 93 3.649 -12.243 -36.476 1.00 0.00 O ATOM 1392 CB PHE A 93 4.511 -10.070 -38.396 1.00 0.00 C ATOM 1393 CG PHE A 93 5.764 -10.751 -38.904 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.209 -10.491 -40.211 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.492 -11.626 -38.082 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.377 -11.093 -40.692 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.660 -12.231 -38.565 1.00 0.00 C ATOM 1398 CZ PHE A 93 8.104 -11.962 -39.868 1.00 0.00 C ATOM 0 H PHE A 93 2.422 -9.266 -37.430 1.00 0.00 H new ATOM 0 HA PHE A 93 3.008 -11.169 -39.460 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.341 -9.172 -38.990 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.687 -9.745 -37.371 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.647 -9.823 -40.847 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.152 -11.833 -37.078 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.717 -10.888 -41.696 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.219 -12.905 -37.933 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.007 -12.425 -40.236 1.00 0.00 H new ATOM 1408 N GLN A 94 3.312 -13.371 -38.390 1.00 0.00 N ATOM 1409 CA GLN A 94 3.367 -14.684 -37.753 1.00 0.00 C ATOM 1410 C GLN A 94 4.801 -15.074 -37.388 1.00 0.00 C ATOM 1411 O GLN A 94 5.684 -15.090 -38.245 1.00 0.00 O ATOM 1412 CB GLN A 94 2.705 -15.718 -38.666 1.00 0.00 C ATOM 1413 CG GLN A 94 2.599 -17.093 -37.990 1.00 0.00 C ATOM 1414 CD GLN A 94 3.850 -17.951 -38.160 1.00 0.00 C ATOM 1415 OE1 GLN A 94 4.669 -17.728 -39.048 1.00 0.00 O ATOM 1416 NE2 GLN A 94 4.012 -18.953 -37.302 1.00 0.00 N ATOM 0 H GLN A 94 3.188 -13.399 -39.402 1.00 0.00 H new ATOM 0 HA GLN A 94 2.815 -14.647 -36.814 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.709 -15.372 -38.944 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.280 -15.810 -39.588 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.406 -16.953 -36.927 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.743 -17.627 -38.402 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.318 -19.118 -36.573 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.831 -19.557 -37.372 1.00 0.00 H new ATOM 1425 N ILE A 95 5.023 -15.385 -36.110 1.00 0.00 N ATOM 1426 CA ILE A 95 6.314 -15.810 -35.593 1.00 0.00 C ATOM 1427 C ILE A 95 6.125 -16.523 -34.250 1.00 0.00 C ATOM 1428 O ILE A 95 5.360 -16.066 -33.402 1.00 0.00 O ATOM 1429 CB ILE A 95 7.217 -14.583 -35.458 1.00 0.00 C ATOM 1430 CG1 ILE A 95 8.645 -14.996 -35.082 1.00 0.00 C ATOM 1431 CG2 ILE A 95 6.672 -13.599 -34.424 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.577 -13.783 -35.114 1.00 0.00 C ATOM 0 H ILE A 95 4.295 -15.346 -35.397 1.00 0.00 H new ATOM 0 HA ILE A 95 6.786 -16.516 -36.276 1.00 0.00 H new ATOM 0 HB ILE A 95 7.235 -14.086 -36.428 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.652 -15.441 -34.087 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.004 -15.757 -35.774 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.338 -12.739 -34.354 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.680 -13.265 -34.727 1.00 0.00 H new ATOM 0 HG23 ILE A 95 6.609 -14.090 -33.453 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.587 -14.093 -34.845 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.584 -13.356 -36.117 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.225 -13.035 -34.403 1.00 0.00 H new ATOM 1444 N GLY A 96 6.817 -17.646 -34.038 1.00 0.00 N ATOM 1445 CA GLY A 96 6.802 -18.323 -32.746 1.00 0.00 C ATOM 1446 C GLY A 96 5.417 -18.847 -32.368 1.00 0.00 C ATOM 1447 O GLY A 96 5.023 -18.765 -31.204 1.00 0.00 O ATOM 0 H GLY A 96 7.393 -18.102 -34.746 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.506 -19.155 -32.768 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.147 -17.634 -31.976 1.00 0.00 H new ATOM 1451 N MET A 97 4.680 -19.381 -33.347 1.00 0.00 N ATOM 1452 CA MET A 97 3.339 -19.928 -33.152 1.00 0.00 C ATOM 1453 C MET A 97 2.325 -18.885 -32.670 1.00 0.00 C ATOM 1454 O MET A 97 1.251 -19.242 -32.186 1.00 0.00 O ATOM 1455 CB MET A 97 3.381 -21.175 -32.262 1.00 0.00 C ATOM 1456 CG MET A 97 4.325 -22.222 -32.856 1.00 0.00 C ATOM 1457 SD MET A 97 4.491 -23.725 -31.859 1.00 0.00 S ATOM 1458 CE MET A 97 5.781 -24.545 -32.831 1.00 0.00 C ATOM 0 H MET A 97 5.006 -19.445 -34.311 1.00 0.00 H new ATOM 0 HA MET A 97 2.975 -20.238 -34.131 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.713 -20.903 -31.260 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.379 -21.593 -32.163 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.967 -22.496 -33.848 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.311 -21.775 -32.985 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.028 -25.503 -32.373 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.422 -24.710 -33.847 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.671 -23.916 -32.858 1.00 0.00 H new ATOM 1468 N LYS A 98 2.665 -17.597 -32.805 1.00 0.00 N ATOM 1469 CA LYS A 98 1.797 -16.467 -32.490 1.00 0.00 C ATOM 1470 C LYS A 98 2.000 -15.372 -33.528 1.00 0.00 C ATOM 1471 O LYS A 98 2.806 -15.527 -34.442 1.00 0.00 O ATOM 1472 CB LYS A 98 2.076 -15.935 -31.079 1.00 0.00 C ATOM 1473 CG LYS A 98 1.659 -16.949 -30.014 1.00 0.00 C ATOM 1474 CD LYS A 98 1.572 -16.303 -28.625 1.00 0.00 C ATOM 1475 CE LYS A 98 2.892 -15.660 -28.189 1.00 0.00 C ATOM 1476 NZ LYS A 98 3.971 -16.664 -28.092 1.00 0.00 N ATOM 0 H LYS A 98 3.582 -17.309 -33.148 1.00 0.00 H new ATOM 0 HA LYS A 98 0.759 -16.800 -32.516 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.138 -15.710 -30.975 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.536 -15.000 -30.926 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.692 -17.378 -30.278 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.376 -17.769 -29.991 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.788 -15.546 -28.629 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.282 -17.059 -27.895 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.175 -14.886 -28.902 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.760 -15.171 -27.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.825 -16.219 -27.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.667 -17.441 -27.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.182 -17.040 -29.039 1.00 0.00 H new ATOM 1490 N ARG A 99 1.271 -14.262 -33.397 1.00 0.00 N ATOM 1491 CA ARG A 99 1.431 -13.121 -34.282 1.00 0.00 C ATOM 1492 C ARG A 99 1.878 -11.896 -33.497 1.00 0.00 C ATOM 1493 O ARG A 99 1.370 -11.652 -32.401 1.00 0.00 O ATOM 1494 CB ARG A 99 0.125 -12.857 -35.030 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.229 -14.023 -35.958 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.516 -13.718 -36.716 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.875 -14.816 -37.621 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.499 -14.900 -38.900 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.734 -13.961 -39.458 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.889 -15.938 -39.637 1.00 0.00 N ATOM 0 H ARG A 99 0.559 -14.135 -32.677 1.00 0.00 H new ATOM 0 HA ARG A 99 2.206 -13.343 -35.016 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.682 -12.701 -34.314 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.216 -11.940 -35.612 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.584 -14.197 -36.662 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.348 -14.937 -35.377 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.327 -13.548 -36.007 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.395 -12.798 -37.287 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.453 -15.569 -37.247 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.425 -13.160 -38.906 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.458 -14.043 -40.436 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.473 -16.666 -39.225 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.604 -16.006 -40.614 1.00 0.00 H new ATOM 1514 N LEU A 100 2.821 -11.125 -34.042 1.00 0.00 N ATOM 1515 CA LEU A 100 3.308 -9.919 -33.392 1.00 0.00 C ATOM 1516 C LEU A 100 2.201 -8.883 -33.265 1.00 0.00 C ATOM 1517 O LEU A 100 1.522 -8.564 -34.241 1.00 0.00 O ATOM 1518 CB LEU A 100 4.492 -9.328 -34.164 1.00 0.00 C ATOM 1519 CG LEU A 100 5.676 -10.294 -34.246 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.819 -9.630 -35.011 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.170 -10.658 -32.849 1.00 0.00 C ATOM 0 H LEU A 100 3.262 -11.322 -34.940 1.00 0.00 H new ATOM 0 HA LEU A 100 3.642 -10.193 -32.391 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.170 -9.066 -35.172 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.813 -8.405 -33.681 1.00 0.00 H new ATOM 0 HG LEU A 100 5.350 -11.199 -34.758 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.664 -10.316 -35.071 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.485 -9.377 -36.017 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.125 -8.722 -34.492 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.012 -11.346 -32.929 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.487 -9.754 -32.328 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.364 -11.134 -32.291 1.00 0.00 H new ATOM 1533 N LYS A 101 2.024 -8.354 -32.052 1.00 0.00 N ATOM 1534 CA LYS A 101 1.089 -7.272 -31.796 1.00 0.00 C ATOM 1535 C LYS A 101 1.831 -5.946 -31.924 1.00 0.00 C ATOM 1536 O LYS A 101 2.946 -5.818 -31.423 1.00 0.00 O ATOM 1537 CB LYS A 101 0.480 -7.456 -30.404 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.459 -6.303 -30.037 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.869 -6.394 -28.563 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.657 -7.666 -28.247 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.958 -7.687 -28.940 1.00 0.00 N ATOM 0 H LYS A 101 2.529 -8.669 -31.223 1.00 0.00 H new ATOM 0 HA LYS A 101 0.273 -7.277 -32.519 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.069 -8.397 -30.369 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.278 -7.525 -29.664 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.035 -5.350 -30.225 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.346 -6.333 -30.670 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.024 -6.360 -27.939 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.472 -5.524 -28.304 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.074 -8.538 -28.542 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.816 -7.738 -27.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.513 -8.503 -28.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.476 -6.809 -28.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.804 -7.764 -29.966 1.00 0.00 H new ATOM 1555 N VAL A 102 1.217 -4.967 -32.592 1.00 0.00 N ATOM 1556 CA VAL A 102 1.779 -3.629 -32.725 1.00 0.00 C ATOM 1557 C VAL A 102 0.712 -2.590 -32.401 1.00 0.00 C ATOM 1558 O VAL A 102 -0.443 -2.753 -32.794 1.00 0.00 O ATOM 1559 CB VAL A 102 2.379 -3.430 -34.122 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.048 -2.063 -34.258 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.417 -4.507 -34.424 1.00 0.00 C ATOM 0 H VAL A 102 0.316 -5.084 -33.055 1.00 0.00 H new ATOM 0 HA VAL A 102 2.594 -3.504 -32.012 1.00 0.00 H new ATOM 0 HB VAL A 102 1.554 -3.497 -34.831 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.461 -1.958 -35.261 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.311 -1.279 -34.086 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.849 -1.975 -33.524 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.829 -4.346 -35.420 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.219 -4.457 -33.687 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.946 -5.489 -34.381 1.00 0.00 H new ATOM 1571 N GLN A 103 1.086 -1.523 -31.689 1.00 0.00 N ATOM 1572 CA GLN A 103 0.120 -0.522 -31.256 1.00 0.00 C ATOM 1573 C GLN A 103 0.785 0.834 -31.018 1.00 0.00 C ATOM 1574 O GLN A 103 1.994 0.913 -30.810 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.562 -1.038 -29.983 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.681 -0.123 -29.496 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.581 -0.878 -28.527 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -2.123 -1.402 -27.514 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -3.873 -0.940 -28.831 1.00 0.00 N ATOM 0 H GLN A 103 2.047 -1.335 -31.404 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.623 -0.367 -32.039 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.968 -2.032 -30.172 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.183 -1.143 -29.195 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.258 0.754 -29.006 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.264 0.236 -30.344 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.219 -0.493 -29.680 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.519 -1.434 -28.215 1.00 0.00 H new ATOM 1588 N LEU A 104 -0.010 1.908 -31.051 1.00 0.00 N ATOM 1589 CA LEU A 104 0.461 3.259 -30.794 1.00 0.00 C ATOM 1590 C LEU A 104 0.717 3.480 -29.297 1.00 0.00 C ATOM 1591 O LEU A 104 0.133 2.804 -28.450 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.596 4.252 -31.301 1.00 0.00 C ATOM 1593 CG LEU A 104 -0.017 5.224 -32.331 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -1.149 6.041 -32.948 1.00 0.00 C ATOM 1595 CD2 LEU A 104 0.958 6.188 -31.665 1.00 0.00 C ATOM 0 H LEU A 104 -1.007 1.856 -31.260 1.00 0.00 H new ATOM 0 HA LEU A 104 1.405 3.414 -31.317 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.426 3.703 -31.746 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.000 4.814 -30.459 1.00 0.00 H new ATOM 0 HG LEU A 104 0.503 4.647 -33.096 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.739 6.734 -33.682 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.856 5.371 -33.437 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.661 6.602 -32.166 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.360 6.872 -32.412 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.438 6.757 -30.894 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.774 5.625 -31.212 1.00 0.00 H new ATOM 1607 N LYS A 105 1.598 4.435 -28.984 1.00 0.00 N ATOM 1608 CA LYS A 105 1.877 4.870 -27.622 1.00 0.00 C ATOM 1609 C LYS A 105 0.666 5.624 -27.060 1.00 0.00 C ATOM 1610 O LYS A 105 -0.215 6.025 -27.823 1.00 0.00 O ATOM 1611 CB LYS A 105 3.139 5.742 -27.648 1.00 0.00 C ATOM 1612 CG LYS A 105 3.543 6.273 -26.272 1.00 0.00 C ATOM 1613 CD LYS A 105 4.887 6.993 -26.367 1.00 0.00 C ATOM 1614 CE LYS A 105 5.261 7.558 -24.999 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.547 8.272 -25.059 1.00 0.00 N ATOM 0 H LYS A 105 2.144 4.933 -29.687 1.00 0.00 H new ATOM 0 HA LYS A 105 2.055 4.017 -26.967 1.00 0.00 H new ATOM 0 HB2 LYS A 105 3.964 5.161 -28.061 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.975 6.585 -28.320 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.780 6.956 -25.898 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.611 5.450 -25.560 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.658 6.303 -26.710 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.830 7.797 -27.101 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.480 8.236 -24.655 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.323 6.749 -24.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.855 8.514 -24.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.261 7.664 -25.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.435 9.143 -25.616 1.00 0.00 H new